SCHEMBL19724232

SCHEMBL19724232

O=CC(Cc1cnc[nH]1)NCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.48
FAAH O00519 2/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
SLC6A5 Q9Y345 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13416963 0.97 TBXAS1 (0.46) TBXAS1FAAHCNR1CNR2SLC6A5
SCHEMBL19723966 0.86 TBXAS1 (0.45) TBXAS1FAAHCNR1CNR2SLC6A5
SCHEMBL13416478 0.80 FAAH (0.41) TBXAS1FAAHCNR1CNR2SLC6A5
SCHEMBL12664939 0.78 SLC6A5 (0.58) TBXAS1FAAHCNR1CNR2SLC6A5
SCHEMBL19059597 0.77 TBXAS1 (0.68) TBXAS1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL26870323 0.77 TBXAS1 (0.68) TBXAS1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18381218 0.76 CYP3A4 (0.70) TBXAS1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18381401 0.75 TBXAS1 (0.65) TBXAS1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL19723979 0.74 HRH3 (0.49) TSHRLMNA
Ingavirin SCHEMBL18381264 0.74 CYP3A4 (0.70) TBXAS1CYP3A4CYP2D6TSHRCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340261-B1 AMYLIN DERIVATIVES NOVO NORDISK AS (DK) 2017-12-20 EP disclosed